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METHYL-6-(4-[11-(4-[4-(METHOXYCARBONYLBUTYL)-PHENYL]-UNDECYL)-PHENYL]-HEXANOATE
SpectraBase Compound ID HdwscNqKJMC
InChI InChI=1S/C36H54O4/c1-39-35(37)21-14-10-13-19-33-25-23-31(24-26-33)17-11-8-6-4-3-5-7-9-12-18-32-27-29-34(30-28-32)20-15-16-22-36(38)40-2/h23-30H,3-22H2,1-2H3
InChIKey OQEBLUICMKBBNK-UHFFFAOYSA-N
Mol Weight 550.8 g/mol
Molecular Formula C36H54O4
Exact Mass 550.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bf5sNfyAEO
Name 6-[4-[11-[4-(5-keto-5-methoxy-pentyl)phenyl]undecyl]phenyl]hexanoic acid methyl ester
Alternate Name(s) 6-[4-[11-[4-(5-methoxy-5-oxopentyl)phenyl]undecyl]phenyl]hexanoic acid methyl ester Methyl 6-[4-[11-[4-(5-methoxy-5-oxidanylidene-pentyl)phenyl]undecyl]phenyl]hexanoate Methyl 6-[4-[11-[4-(5-methoxy-5-oxo-pentyl)phenyl]undecyl]phenyl]hexanoate
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Formula C36H54O4
InChI InChI=1S/C36H54O4/c1-39-35(37)21-14-10-13-19-33-25-23-31(24-26-33)17-11-8-6-4-3-5-7-9-12-18-32-27-29-34(30-28-32)20-15-16-22-36(38)40-2/h23-30H,3-22H2,1-2H3
InChIKey OQEBLUICMKBBNK-UHFFFAOYSA-N
Molecular Weight 550.824 g/mol
SMILES C(=O)(OC)CCCCCc1ccc(cc1)CCCCCCCCCCCc1ccc(cc1)CCCCC(=O)OC
SPLASH splash10-0159-0600090000-3144b99fc99e8a145b93
Source of Spectrum KC-0-1149-38
Wiley ID 785641